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Computing Investigations of Molecular and Atomic Vibrations of Ice IX

[Image: see text] The normal modes of ice IX were investigated using the CASTEP code package, which is based on density functional theory. We found that the translational modes could be divided into three categories: four-bond vibrations, which possessed the highest energy; two-bond vibrations, whic...

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Dettagli Bibliografici
Pubblicato in:ACS Omega
Autori principali: Zhao, Zeng-Ji, Qin, Xiao-Ling, Cao, Jing-Wen, Zhu, Xu-Liang, Yang, Ye-Chen, Wang, Hao-Cheng, Zhang, Peng
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2019
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6854819/
https://ncbi.nlm.nih.gov/pubmed/31737855
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b03190
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